(4-nitrophenyl)-[5-oxidanyl-3-tetradecyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Systemtic Name: (4-nitrophenyl)-[5-oxidanyl-3-tetradecyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: [5-hydroxy-3-tetradecyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone CAS Name: [5-hydroxy-3-tetradecyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone IUPAC Name: [5-hydroxy-3-tetradecyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone Traditional Name: [5-hydroxy-3-myristyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-nitrophenyl)methanone Formula: C25H36F3N3O4 MolecularWeight: 499.56625

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H36F3N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-19-24(33,25(26,27)28)30(29-21)23(32)20-15-17-22(18-16-20)31(34)35/h15-18,33H,2-14,19H2,1H3